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International Journal for Multiscale Computational Engineering
Impact-faktor: 1.016 5-jähriger Impact-Faktor: 1.194 SJR: 0.554 SNIP: 0.82 CiteScore™: 2

ISSN Druckformat: 1543-1649
ISSN Online: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.v3.i4.30
pages 437-450

Characteristics of Silicon-Doped CNT-Reinforced Nanocomposites

V. U. Unnikrishnan
Advanced Computational Mechanics Laboratory, Department of Mechanical, Engineering, Texas A&M University, College Station, TX 77843-3123
J. N. Reddy
Department of Mechanical Engineering, Texas A&M University, College Station, Texas, TX 77843, USA

ABSTRAKT

Silicon-doped carbon nanotubes (CNTs) may find potential multifunctional applications where novel mechanical and electronic properties are desired. Ab initio analysis of CNT doped with silicon has shown that the resulting structure is stable. However, simulation on the effect of silicon doping on the mechanical properties of the CNT structure, which has not been carried out to date, forms the basis of this study. Analysis of silicon-doped carbon nanotubes for the estimation of elastic properties is also presented in this paper. The molecular dynamics simulation is carried out using the Tersoff-Brenner potential for isothermal strain conditions and the elastic modulus is obtained by an energy method. Micromechanical techniques are used to obtain the effective properties of the doped CNT-reinforced nanocomposite in the homogenized mesoscale, thereby bridging different scales.


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